3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]coumarin Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=O)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=O)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C25H22N6O3/c32-24(19-15-18-5-1-4-8-22(18)34-25(19)33)29-12-9-17(10-13-29)23-26-11-14-30(23)16-31-21-7-3-2-6-20(21)27-28-31/h1-8,11,14-15,17H,9-10,12-13,16H2